Ethanol → 1,2,3,4-Tetrahydro-3-[1-(7-hydroxy-6-methoxy-4-quinazolinyl)-4-piperidinyl]-1,6-dimethyl-2,4-dioxo-quinazoline

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:39][CH3:40])[cH:11][c:12]2[c:13]([N:19]3[CH2:20][CH2:21][CH:22]([n:25]4[c:26](=[O:38])[n:27]([CH3:37])[c:28]5[cH:29][cH:30][c:31]([CH3:36])[cH:32][c:33]5[c:34]4=[O:35])[CH2:23][CH2:24]3)[n:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:41][CH2:42][OH:43]>>[OH:8][c:9]1[c:10]([O:39][CH3:40])[cH:11][c:12]2[c:13]([N:19]3[CH2:20][CH2:21][CH:22]([n:25]4[c:26](=[O:38])[n:27]([CH3:37])[c:28]5[cH:29][cH:30][c:31]([CH3:36])[cH:32][c:33]5[c:34]4=[O:35])[CH2:23][CH2:24]3)[n:14][cH:15][n:16][c:17]2[cH:18]1

참가 물질

반응물 2

HCID 702Ethanol

HCID 229234363-[1-(7-Benzyloxy-6-methoxy-4-quinazolinyl)-4-piperidinyl]-1,2,3,4-tetrahydro-1,6-dimethyl-2,4-dioxoquinazoline

생성물 1

HCID 1358475911,2,3,4-Tetrahydro-3-[1-(7-hydroxy-6-methoxy-4-quinazolinyl)-4-piperidinyl]-1,6-dimethyl-2,4-dioxo-quinazoline

출처 및 근거

ORD 기록: ord-8ab3ff6e13614b5f9b01b4664dcaa7d6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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